Narmafotinib (AMP-945) is an inhibitor (blocker/antagonist) of focal adhesion kinase (FAK) (KD=0.21 nM). Narmafotinib inhibits the autophosphorylation of 397Y-FAK in MDA-MB-231 cells with IC50=7 nM and has low cell toxicity/cytotoxicity (IC50=2.7 μM, MDA-MB-231 cells).

Physicochemical Properties

Molecular Formula	C28H32F3N5O2
Molecular Weight	527.5812
Exact Mass	527.25
Elemental Analysis	C, 63.74; H, 6.11; F, 10.80; N, 13.27; O, 6.06
CAS #	1393653-34-3
Related CAS #	1393653-34-3;
PubChem CID	60162119
Appearance	White to light yellow solid powder
LogP	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	38
Complexity	749
Defined Atom Stereocenter Count	0
SMILES	FC(C1=C([H])N=C(N=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C(N([H])[H])=O)N([H])C1C([H])=C([H])C(=C([H])C=1OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])(F)F
InChi Key	AWJVIOYPZZZYAX-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
Chemical Name	2-[2-[2-[2-[2-Methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Synonyms	AMP945, amp945, Narmafotinib
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Abstract LB-308: combination of CTx-0294945 a highly selective inhibitor of focal adhesion kinase with bevacizumab in pre-clinical models of breast cancer. Cancer Research, 2012, 72(8_Supplement): LB-308-LB-308. [2]. Amplia Therapeutics completes single-dose study of AMP945.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~189.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8954 mL	9.4772 mL	18.9545 mL
	5 mM	0.3791 mL	1.8954 mL	3.7909 mL
	10 mM	0.1895 mL	0.9477 mL	1.8954 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.